ChemSpider 2D Image | Butyl (3R)-3-hydroxybutanoate | C8H16O3

Butyl (3R)-3-hydroxybutanoate

  • Molecular FormulaC8H16O3
  • Average mass160.211 Da
  • Monoisotopic mass160.109940 Da
  • ChemSpider ID62929858

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R)-3-Hydroxybutanoate de butyle [French] [ACD/IUPAC Name]
82578-46-9 [RN]
Butanoic acid, 3-hydroxy-, butyl ester, (3R)- [ACD/Index Name]
Butyl (3R)-3-hydroxybutanoate [ACD/IUPAC Name]
Butyl-(3R)-3-hydroxybutanoat [German] [ACD/IUPAC Name]
Butyl (R)-(-)-3-Hydroxybutyrate
MFCD04037987

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 241.7±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±6.0 kJ/mol
    Flash Point: 95.4±12.6 °C
    Index of Refraction: 1.436
    Molar Refractivity: 42.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 4.26
    ACD/KOC (pH 5.5): 98.22
    ACD/LogD (pH 7.4): 1.13
    ACD/BCF (pH 7.4): 4.26
    ACD/KOC (pH 7.4): 98.22
    Polar Surface Area: 47 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 33.4±3.0 dyne/cm
    Molar Volume: 162.0±3.0 cm3

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